SCHEMBL9729672

SCHEMBL9729672

COc1ccc(Oc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.65
RAB9A P51151 3/20 0.65
MAPK1 P28482 2/20 0.65
NPC1 O15118 2/20 0.65
HPGD P15428 1/20 0.65
LMNA P02545 1/20 0.56
ALOX15 P16050 1/20 0.56
APEX1 P27695 1/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LTA4H P09960 2/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
FGFR2 P21802 1/20 0.49

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
SCHEMBL3665016 0.93 MAPT (0.64) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL78643 0.93 MAPT (0.64) ALDH1A1MAPTRAB9AMAPK1NPC1
Fluoride SCHEMBL31538992 0.90 MAPT (0.62) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL427816 0.90 RAB9A (0.77) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL127279 0.90 RAB9A (0.77) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL18118972 0.90 RAB9A (0.77) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL29377311 0.87 RAB9A (0.74) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL2608411 0.86 MAPT (0.58) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL16281499 0.86 MAPT (0.58) ALDH1A1MAPTRAB9AMAPK1NPC1
SCHEMBL30399915 0.86 LTA4H (0.56) ALDH1A1MAPTRAB9AMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-07 US disclosed
WO-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-01-21 US disclosed
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 US disclosed
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-04 US disclosed
US-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 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 (8 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-20140045813-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK ALDH1A1 3329/4885MAPT 4414/4885RAB9A 2803/4885
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RNGTT, FBL, POLR1C ALDH1A1 1806/4885MAPT 43/4885RAB9A 4138/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK ALDH1A1 3329/4885MAPT 4414/4885RAB9A 2803/4885
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK ALDH1A1 3329/4885MAPT 4414/4885RAB9A 2803/4885
US-20210017126-A1 Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols RNGTT, FBL, POLR1C ALDH1A1 1806/4885MAPT 43/4885RAB9A 4138/4885
US-20160031872-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK ALDH1A1 3329/4885MAPT 4414/4885RAB9A 2803/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK ALDH1A1 3329/4885MAPT 4414/4885RAB9A 2803/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK ALDH1A1 3329/4885MAPT 4414/4885RAB9A 2803/4885

“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.