SCHEMBL7621664

SCHEMBL7621664

COc1cc(C)cc(CCl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.44
ALDH1A1 P00352 2/20 0.42
ACHE P22303 2/20 0.40
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAOB P27338 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPBWR1 P48145 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PTPN1 P18031 1/20 0.36
TTR P02766 1/20 0.36
CALM1 P0DP23 2/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL1279836 0.86 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP19A1CYP3A4
SCHEMBL20865065 0.86 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP19A1CYP3A4
SCHEMBL11261073 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1CYP19A1CYP3A4
SCHEMBL2618040 0.83 DAO (0.44) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL10175240 0.80 TACR1 (0.45) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL418489 0.78 TACR1 (0.47) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL3933079 0.78 TACR1 (0.44) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL1936578 0.78 TACR1 (0.44) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL10204849 0.78 TACR1 (0.51) TACR1ALDH1A1ACHECYP1A1CYP1B1
SCHEMBL586588 0.78 MARS1 (0.42) ALDH1A1CYP19A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440989-B2 ANTITUMOR AGENT SCHERING CORPORATION 2002-08-27 US disclosed
US-20010016585-A1 Novel phenyl-substituted tricyclic inhibitors of farnesyl-protein transferase AFONSO ADRIANO (IN) 2001-08-23 US disclosed
US-6218401-B1 FOR THERAPY OF PANCREATIC TUMOR CELLS, LUNG CANCER CELLS, MYELOID LEUKEMIA TUMOR CELLS, THYROID FOLLICULAR TUMOR CELLS, MYELODYSPLASTIC TUMOR CELLS, EPIDERMAL CARCINOMA TUMOR CELLS, BLADDER CARCINOMA TUMOR CELLS OR PROSTATE TUMOR CELLS SCHERING CORPORATION 2001-04-17 US disclosed
CN-1267292-A Phenyl-substd. tricyclic inhibitors of farnesyl-protein transferase SCHERING CORP (US) 2000-09-20 CN disclosed
EP-0989981-A1 NOVEL PHENYL-SUBSTITUTED TRICYCLIC INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-04-05 EP disclosed
WO-1998057950-A1 NOVEL PHENYL-SUBSTITUTED TRICYCLIC INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-12-23 WO disclosed
US-4058642-A HYPERTENSIVE BOEHRINGER INGELHEIM GMBH (DT) 1977-11-15 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 (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-20010016585-A1 Novel phenyl-substituted tricyclic inhibitors of farnesyl-protein transferase FNTA, FNTB, HRAS TACR1 4030/4885ALDH1A1 3245/4885ACHE 3214/4885

“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.