SCHEMBL16319058

SCHEMBL16319058

Cc1ccc(OCc2ccccc2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 8/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL2810201 0.88 GSTP1 (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL695873 0.87 S1PR1 (0.57) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL2199273 0.86 APP (0.50) MAOBNPC1RAB9ACASP3SENP8
SCHEMBL20394187 0.85 ALOX5 (0.54) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL8761070 0.85 ALOX5 (0.58) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL11965262 0.83 MAOB (0.54) ALOX5MAOBS1PR1S1PR5MEN1
SCHEMBL27534741 0.83 MRGPRX4 (0.39) ALOX5LMNAMAOBCYP4F2CYP4A11
SCHEMBL8588173 0.82 LMNA (0.58) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL1923788 0.81 MAOB (0.62) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL7273091 0.81 MAOB (0.55) ALOX5LMNACYP1A2PTGS1SLC6A2

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-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 US disclosed
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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 (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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 ALOX5 2026/4885LMNA 4093/4885CYP1A2 2332/4885
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT WASHC5, NME1, NHERF1 ALOX5 1039/4885LMNA 4203/4885CYP1A2 4125/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 ALOX5 2440/4885LMNA 3964/4885CYP1A2 3881/4885

“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.