SCHEMBL6312645

SCHEMBL6312645

COc1cccc(OCc2ccccc2)c1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.63
ADRA1D P25100 4/20 0.63
ADRA1A P35348 4/20 0.63
ADRA1B P35368 4/20 0.63
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ABCB1 P08183 5/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
BCHE P06276 6/20 0.59
APP P05067 1/20 0.54
RXRA P19793 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL17912878 0.96 MAPT (0.66) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL18623128 0.93 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL21300617 0.89 BCHE (0.67) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL30445162 0.84 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL11019947 0.84 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL30416387 0.84 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL791853 0.84 HTR1A (0.74) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL6194328 0.82 ATM (0.57) HTR1AADRA1DADRA1AADRA1BMAPT
Ammonia Solution, Strong SCHEMBL2063054 0.82 HTR1A (0.72) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL12843212 0.82 BCHE (0.60) HTR1AADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768746-A Method for synthesizing chiral 2-amido benzhydrol by iridium catalysis 中国科学院大连化学物理研究所 2023-09-19 CN disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 WO 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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 HTR1A 167/4885ADRA1D 75/4885ADRA1A 54/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT HTR1A 2218/4885ADRA1D 2898/4885ADRA1A 2633/4885

“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.