SCHEMBL16638704

SCHEMBL16638704

CC(C)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PARP10 Q53GL7 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAOB P27338 1/20 0.51
NPC1 O15118 1/20 0.48
SYK P43405 4/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
ADAMTS4 O75173 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL17712548 0.87 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL15472292 0.86 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2PARP10MAOB
SCHEMBL14464038 0.86 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
Hydrochloric Acid SCHEMBL22159185 0.86 PARP10 (0.55) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL10223301 0.84 TAS1R3 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP3A4
SCHEMBL22967390 0.83 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL24301594 0.83 TLR4 (0.49) KDM4EALDH1A1SMN1; SMN2PARP10SYK
SCHEMBL22967393 0.81 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL17712563 0.81 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2
SCHEMBL169753 0.81 SMN1; SMN2 (0.63) KDM4EALDH1A1SMN1; SMN2PARP10CYP1A2

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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 US disclosed
US-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A KDM4E 936/4885ALDH1A1 149/4885SMN1; SMN2 1763/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 KDM4E 2319/4885ALDH1A1 1663/4885SMN1; SMN2 3045/4885
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 KDM4E 2022/4885ALDH1A1 1666/4885SMN1; SMN2 3419/4885

“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.