SCHEMBL1989249

SCHEMBL1989249

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
TSHR P16473 3/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 2/20 0.34
CYP1A2 P05177 1/20 0.34
DRD1 P21728 2/20 0.33
TSPO P30536 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TACR1 P25103 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NQO2 P16083 1/20 0.30

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 SCHEMBL2031976 0.95 ACHE (0.38) ACHETSHRLMNAALOX12ALDH1A1
Hydrochloric Acid SCHEMBL2031981 0.95 ACHE (0.38) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL2031979 0.93 ACHE (0.36) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL30477646 0.88 ACHE (0.36) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL25060870 0.84 ALDH1A1 (0.37) ACHETSHRLMNAALDH1A1MAPT
SCHEMBL12736909 0.84 ALDH1A1 (0.39) ACHEALDH1A1MAPT
SCHEMBL5680509 0.84 ACHE (0.33) ACHEALDH1A1MAPT
SCHEMBL6248171 0.83 CYP2A6 (0.44) ACHETSHRLMNAALOX12ALDH1A1
SCHEMBL1224759 0.80 ACHE (0.39) ACHETSHRALDH1A1CYP2A6CYP1A2
SCHEMBL1903564 0.80 ALDH1A1 (0.38) TSHRALDH1A1MAPTCYP3A4TSPO

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-8637710-B2 Catalyst for cross-coupling reaction comprising unsubstituted or substituted bisphosphinobenzenes KYOTO UNIVERSITY (JP) 2014-01-28 US disclosed
US-20110152523-A1 CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME KYOTO UNIVERSITY (JP) 2011-06-23 US disclosed
EP-1153908-B1 Method for producing 1-menthol TAKASAGO PERFUMERY CO LTD (JP) 2005-08-24 EP disclosed
US-6342644-B1 MULTISTAGE PROCESS OF HYDROGENATION WITH PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-29 US disclosed
US-20020007094-A1 Method for producing 1-menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-17 US disclosed
EP-1153908-A2 Method for producing 1-menthol Takasago International Corporation (JP) 2001-11-14 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-20110152523-A1 CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME AHR, AR, HRH2 ACHE 3316/4885TSHR 574/4885LMNA 4653/4885
US-20020007094-A1 Method for producing 1-menthol HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PHOSPHO1 ACHE 433/4885TSHR 3198/4885LMNA 3554/4885

“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.