SCHEMBL6546758

SCHEMBL6546758

CC(C)(C)c1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HRH1 P35367 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL5435016 0.86 ALDH1A1 (0.48) BCL2L1LMNACYP2D6TSHRALDH1A1
SCHEMBL6547955 0.86 TSHR (0.42) LMNACYP2D6TSHRALDH1A1TDP1
SCHEMBL10782398 0.85 CALM1 (0.44) CALM1HTR2ABCL2BCL2L1LMNA
SCHEMBL9681510 0.84 APP (0.38) TSHRALDH1A1TDP1SLC6A2L3MBTL1
SCHEMBL6547271 0.84 GABRA1 (0.41) CALM1HTR2ABCL2BCL2L1LMNA
SCHEMBL29470998 0.83 BCL2 (0.45) CALM1HTR2ABCL2BCL2L1LMNA
SCHEMBL8322110 0.83 HTR2A (0.47) CALM1HTR2ABCL2BCL2L1LMNA
SCHEMBL8815094 0.83 BCL2 (0.45) CALM1HTR2ABCL2BCL2L1LMNA
SCHEMBL9514064 0.83 CA2 (0.55) BCL2BCL2L1TSHRALDH1A1TDP1
SCHEMBL10900432 0.82 HTR2A (0.41) CALM1HTR2ABCL2BCL2L1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5231104-A Anticholinergic PFIZER INC. (US) 1993-07-27 US claimed
US-5089505-A Anticholinergic agents PFIZER INC. (US) 1992-02-18 US claimed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
EP-0229372-B1 PRESSURE SENSITIVE COPYING MATERIAL NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-05-09 EP disclosed
US-4879269-A DEVELOPERS, COUPLERS, COLORS NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-11-07 US disclosed
EP-0229372-A1 Pressure sensitive copying material NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-07-22 EP disclosed
US-4036860-A OXIDATION OF A DIPHENYLMETHANE, VANADIUM-TITANIUM OXIDE CATALYST ON BASF AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (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-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CALM1 1492/4885HTR2A 4536/4885BCL2 792/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 CALM1 1492/4885HTR2A 4536/4885BCL2 792/4885

“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.