SCHEMBL159113

SCHEMBL159113

Cc1ccccc1CC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
CTBP2 P56545 1/20 0.56
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
SHBG P04278 1/20 0.53
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
APAF1 O14727 1/20 0.49

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
Hydrochloric Acid SCHEMBL27586436 0.98 ALDH1A1 (0.54) ALDH1A1HPGDCTBP2KMT2AMAPT
SCHEMBL3468116 0.87 ALDH1A1 (0.47) ALDH1A1HPGDCTBP2KMT2AMAPT
SCHEMBL1395222 0.85 ALDH1A1 (0.53) ALDH1A1HPGDCTBP2KMT2AMAPT
SCHEMBL7196858 0.85 MAPT (0.61) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL28638353 0.82 RAB9A (0.54) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL3690329 0.82 RAB9A (0.54) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL3918774 0.82 MAPT (0.52) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL3282130 0.81 ERCC5 (0.50) ALDH1A1HPGDCTBP2KMT2AMAPT
SCHEMBL7911267 0.81 SHBG (0.48) ALDH1A1HPGDCTBP2KMT2AMAPT
SCHEMBL8285 0.81 AKR1B1 (0.61) ALDH1A1HPGDCTBP2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
US-20230354629-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230309339-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230255103-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2023-08-10 US disclosed
CN-114057623-B N-naphthyl indole derivative and synthesis method thereof 湖南第一师范学院 2023-07-21 CN disclosed
US-11706943-B2 Organic electroluminescent element and method for producing same HODOGAYA CHEMICAL CO., LTD. (JP) 2023-07-18 US disclosed
CN-111808089-B Preparation method of drug eprogliflozin for treating diabetes or derivative thereof 四川大学华西医院 2023-04-11 CN disclosed
WO-2022107064-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2022-05-27 WO disclosed
EP-0237305-B1 A METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed
CN-86100532-A Have 4 of cardiovascular disease resistant effect '-synthetic method of p-dimethylamino-azo-benzene ketone derivatives 1987-09-30 CN disclosed
EP-0237305-A2 A method for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 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 (2 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-20230255103-A1 ORGANIC ELECTROLUMINESCENT DEVICE EZH1, EPCAM, EED ALDH1A1 269/4885HPGD 4473/4885CTBP2 1802/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 ALDH1A1 893/4885HPGD 1011/4885CTBP2 1890/4885

“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.