SCHEMBL7106003

SCHEMBL7106003

N=C1c2ccccc2Cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CES1 P23141 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ PLK4 O00444 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ LTK P29376 1/20 0.43
▸ MAP2K2 P36507 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43

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
SCHEMBL24893653 0.83 CES1 (0.56) MAOAALDH1A1KDM4EHPGDCES1
Fluorene SCHEMBL8180 0.82 MAOA (0.68) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL545861 0.82 MAOA (0.68) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL29478468 0.82 MAOA (0.68) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL31388525 0.82 MAOA (0.68) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL29355380 0.82 MAOA (0.68) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL19610620 0.79 MAOA (0.65) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL14118022 0.79 MAOA (0.65) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL10626727 0.79 MAOA (0.65) MAOAALDH1A1KDM4ENPC1MAPT
Fluorene SCHEMBL9435671 0.79 MAOA (0.65) MAOAALDH1A1KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 — — US disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 — — US disclosed
US-9381254-B2 Methods for preparing polymeric reagents NEKTAR THERAPEUTICS (US) 2016-07-05 — — US disclosed
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 — — WO disclosed
WO-2016050210-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR 厦门赛诺邦格生物科技有限公司 2016-04-07 — — WO disclosed
WO-2016050208-A1 BIO-RELATED SUBSTANCE MODIFIED BY MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE 厦门赛诺邦格生物科技有限公司 2016-04-07 — — WO disclosed
US-20160022830-A1 METHODS FOR PREPARING POLYMERIC REAGENTS NEKTAR THERAPEUTICS 2016-01-28 — — US disclosed
US-20150141665-A1 METHODS FOR PREPARING POLYMERIC REAGENTS NEKTAR THERAPEUTICS (US) 2015-05-21 — — US disclosed
US-8905235-B2 Polymeric reagents comprising a terminal vinylic group and conjugates formed therefrom NEKTAR THERAPEUTICS (US) 2014-12-09 — — US disclosed
EP-2319882-B1 POLYOLEFIN RESIN COMPOSITION ADEKA CORP (JP) 2013-10-09 — — EP disclosed
US-4256889-A MULTISTEP MERCK & CO., INC. (US) 1981-03-17 — — US disclosed
US-4252810-A ANTIANXIETY AGENTS, MUSCLE RELAXANTS, ANTIPARKINSON DISEASE AGENT MERCK & CO., INC. (US) 1981-02-24 — — US disclosed
EP-0019866-A1 Process for the preparation of 10,11-dihydro-5H-dibenzo (a,d)cyclohepten-5,10-imines MERCK & CO. INC. (US) 1980-12-10 — — EP disclosed
US-4232158-A REACTION OF 5H-DIBENZ(A,D)CYCLOHEPTEN-5-ONE AND AMMONIA; ACYLATION, HYDROGENATION, AND CYCLIZATION MERCK & CO., INC. (US) 1980-11-04 — — US disclosed
US-4229455-A MUSCLE RELAXANTS, TRANQUILIZERS MERCK & CO., INC. (US) 1980-10-21 — — US disclosed
EP-0011206-A1 9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen-4,9 imines, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1980-05-28 — — EP disclosed
EP-0002512-A1 Imino-bridged benzocycloheptapyridines, process for their preparation and pharmaceutical composition thereof MERCK & CO. INC. (US) 1979-06-27 — — EP disclosed
US-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 — — US disclosed
US-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 — — US disclosed
US-4064139-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE MERCK & CO., INC. (US) 1977-12-20 — — US 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 (3 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-20150141665-A1 METHODS FOR PREPARING POLYMERIC REAGENTS PAM, ALKBH3, DNPEP MAOA 1085/4885ALDH1A1 2387/4885KDM4E 1014/4885
US-20160022830-A1 METHODS FOR PREPARING POLYMERIC REAGENTS PAM, ALKBH3, DNPEP MAOA 1085/4885ALDH1A1 2387/4885KDM4E 1014/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 MAOA 3271/4885ALDH1A1 1582/4885KDM4E 4115/4885

“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.

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