SCHEMBL879606

SCHEMBL879606

COc1ccc(CCC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
AOC3 Q16853 2/20 0.61
TAAR1 Q96RJ0 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
SLC6A4 P31645 1/20 0.53
CALM1 P0DP23 1/20 0.52
MAOB P27338 1/20 0.52
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23934110 0.89 SLC6A4 (0.53) HTTSMN1; SMN2AOC3TAAR1MEN1
SCHEMBL8158210 0.88 CALM1 (0.58) HTTSMN1; SMN2AOC3TAAR1MEN1
SCHEMBL22242871 0.86 CALM1 (0.56) HTTSMN1; SMN2AOC3TAAR1L3MBTL1
SCHEMBL11295128 0.84 HTT (0.46) HTTSMN1; SMN2AOC3MEN1KMT2A
SCHEMBL10533084 0.84 CALM1 (0.55) HTTSMN1; SMN2AOC3TAAR1L3MBTL1
SCHEMBL10654443 0.84 CALM1 (0.55) HTTSMN1; SMN2AOC3TAAR1L3MBTL1
SCHEMBL6555827 0.83 HTT (0.59) HTTSMN1; SMN2AOC3TAAR1MEN1
SCHEMBL8975067 0.83 SLC6A4 (0.66) HTTSMN1; SMN2AOC3TAAR1MEN1
SCHEMBL2238188 0.83 HTT (0.59) HTTSMN1; SMN2TAAR1MEN1KMT2A
SCHEMBL6557459 0.83 HTT (0.59) HTTSMN1; SMN2AOC3TAAR1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839476-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-12 US disclosed
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20230279014-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2006004368-A1 AN IMPROVED PROCESS FOR PREPARING N-HYDROXY-4-{5- [4- (5-ISOPROPYL-2-METHYL-l, 3-THIAZOL-4-YL) -PHENOXY] -PENTOXY }-BENZAMIDINE DONG WHA PHARMACEUTICAL. IND. CO., LTD. (KR) 2006-01-12 WO disclosed
US-6984639-B2 Heterocyclic ketone and thioester compounds and uses GPI NIL HOLDINGS, INC. (US) 2006-01-10 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
US-6417209-B2 NON-IMMUNOSUPPRESSIVE, PIPERIDINO OR PYRROLIDINO AMIDE DERIVATIVE HAS AN AFFINITY FOR AN FKBP-TYPE IMMUNOPHILIN, USEFUL FOR TREATING ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS GPI NIL HOLDINGS, INC. 2002-07-09 US disclosed
US-6384056-B1 COGNITION ACTIVATORS AND NERVE AND VISION DISORDERS GPI NIL HOLDINGS, INC. 2002-05-07 US disclosed
US-6274602-B1 ADMINISTERING COMPOSTITIONS SUCH AS 3,3-DIMETHYL-1-((2S)-2-(5-(3-PYRIDYL) PENTANOYL)-1-PYRROLIDINE)-1, 2-PENTANEDIONE TO TREAT ALOPECIA OR PROMOTING HAIR GROWTH IN ANIMALS GPI NIL HOLDINGS, INC. 2001-08-14 US disclosed
US-6218424-B1 FOR EFFECTING NEURONAL ACTIVITIES IN ANIMALS, INCLUDING TREATING NEUROLOGICAL DISORDERS GPI NIL HOLDINGS, INC. 2001-04-17 US disclosed
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT HTT 1749/4885SMN1; SMN2 1064/4885AOC3 2375/4885
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MTREX, EXOSC5, KPNA6 HTT 135/4885SMN1; SMN2 580/4885AOC3 3921/4885
US-20230279014-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT HTT 1749/4885SMN1; SMN2 1064/4885AOC3 2375/4885
US-11839476-B2 Bio-electrode composition, bio-electrode, and method for manufacturing a bio-electrode AFF1, AFF4, AFF2 HTT 4843/4885SMN1; SMN2 2997/4885AOC3 804/4885
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT HTT 1749/4885SMN1; SMN2 1064/4885AOC3 2375/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HTT 3193/4885SMN1; SMN2 3286/4885AOC3 3895/4885
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT HTT 1749/4885SMN1; SMN2 1064/4885AOC3 2375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.