SCHEMBL979649

SCHEMBL979649

[Li]Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
AGXT P21549 2/20 0.54
LTA4H P09960 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A4 P31645 1/20 0.50
CALM1 P0DP23 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL982940 0.79 IDO1 (0.58) IDO1CA12CA1CA2CA7
SCHEMBL27884 0.78 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL834551 0.78 TAAR1 (0.73) IDO1CA12CA1CA2CA7
SCHEMBL1425001 0.78 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL6880574 0.77 IDO1 (0.57) IDO1CA12CA1CA2CA7
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) IDO1CA12CA1CA2CA7
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) IDO1CA12CA1CA2CA7
Ammonia Solution, Strong SCHEMBL20919857 0.76 LTA4H (0.77) IDO1CA12CA1CA2CA7
SCHEMBL5187124 0.76 CA12 (0.61) IDO1CA12CA1CA2CA7
SCHEMBL30878 0.76 CA12 (0.61) IDO1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP claimed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 US claimed
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent ALEMBIC LIMITED (A CORPORATION OF INDIA) (IN) 2003-10-16 US claimed
EP-1249447-A1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Alembic Limited (IN) 2002-10-16 EP claimed
JP-8225560-A None JP disclosed
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US disclosed
US-8283276-B2 Coordination complex system comprising tautomeric ligands UNIVERSITEIT VAN AMSTERDAM (NL) 2012-10-09 US disclosed
EP-2220099-B1 COORDINATION COMPLEX SYSTEM COMPRISING TAUTOMERIC LIGANDS UNIV AMSTERDAM (NL) 2012-06-27 EP disclosed
US-20110003959-A1 COORDINATION COMPLEX SYSTEM COMPRISING TAUTOMERIC LIGANDS UNIVERSITEIT VAN AMSTERDAM 2011-01-06 US disclosed
EP-2220099-A1 COORDINATION COMPLEX SYSTEM COMPRISING TAUTOMERIC LIGANDS Universiteit van Amsterdam (NL) 2010-08-25 EP disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
EP-0850105-A1 NOVEL CATALYST COMPOSITION BP Chemicals Limited (GB) 1998-07-01 EP disclosed
US-5731318-A NEUROLOGICAL DISORDERS BOEHRINGER INGELHEIM KG (DE) 1998-03-24 US disclosed
WO-1997037765-A1 NOVEL CATALYST COMPOSITION BP CHEMICALS LIMITED (GB) 1997-10-16 WO disclosed
US-5607941-A BENZOMORPHAN DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1997-03-04 US disclosed
JP-H08225560-A NEW AROMATIC DIBENZOFURAN DERIVATIVES AND PHARMACEUTICAL/COSMETIC COMPOSITION CONTAINING THEM CIRD GALDERMA 1996-09-03 JP disclosed
EP-0521422-B1 Benzomorphanes and their use as pharmaceuticals BOEHRINGER INGELHEIM KG (DE) 1996-05-08 EP disclosed
EP-0521422-A1 Benzomorphanes and their use as pharmaceuticals BOEHRINGER INGELHEIM KG (DE) 1993-01-07 EP disclosed
US-4012392-A ANALGESICS, MORPHINE ANTAGONISTS ACF CHEMIEFARMA N.V. (NL) 1977-03-15 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-20110003959-A1 COORDINATION COMPLEX SYSTEM COMPRISING TAUTOMERIC LIGANDS XRN2, LIG1, H1-2 IDO1 371/4885CA12 1432/4885CA1 3072/4885
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent CYP3A4, CYP4X1, CYP2F1 IDO1 1241/4885CA12 3185/4885CA1 1679/4885
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 IDO1 2919/4885CA12 1662/4885CA1 1116/4885

“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.