SCHEMBL613703

SCHEMBL613703

CC(=Cc1ccccc1)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.44
AKR1C3 P42330 1/20 0.44
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.42
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6932180 0.83 SIGMAR1 (0.47) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL24528365 0.83 RAB9A (0.53) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL13165368 0.83 RAB9A (0.53) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL5774618 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPT
SCHEMBL5774614 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPT
SCHEMBL11789537 0.79 L3MBTL1 (0.46) HPGDMEN1KMT2AALDH1A1AKR1C3
SCHEMBL11789535 0.79 L3MBTL1 (0.46) HPGDMEN1KMT2AALDH1A1AKR1C3
SCHEMBL22596690 0.79 ALDH1A1 (0.44) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL3885423 0.78 HPGD (0.54) HPGDMEN1KMT2AALDH1A1KDM4E
SCHEMBL5775659 0.78 SMN1; SMN2 (0.53) HPGDALDH1A1KDM4ETSHRALOX15

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011698-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-08 US disclosed
US-20150005440-A1 CONJUGATED DIENE POLYMER PRODUCTION METHOD, AND CONJUGATED DIENE POLYMER COMPOSITION PRODUCTION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
US-8299179-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20120041136-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20050182113-A1 Method for preparing diaryl-substituted isoxazole compounds DR. REDDY'S LABORATORIES LTD. (IN) 2005-08-18 US disclosed
EP-1550658-A1 Method for preparing 3,4-diphenyl-substituted isoxazole compounds Dr. Reddy's Laboratories Ltd. (IN) 2005-07-06 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 (1 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-20050182113-A1 Method for preparing diaryl-substituted isoxazole compounds CYP2C9, CYP3A7, CYP3A5 HPGD 52/4885MEN1 1233/4885KMT2A 2288/4885

“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.