SCHEMBL11988872

SCHEMBL11988872

Cc1ccc(C(=O)C2(COCc3ccccc3)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TACR1 P25103 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
CHRM3 P20309 2/20 0.36
MAOB P27338 2/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2150274 0.81 LMNA (0.43) HTTNPC1RAB9APOLBMAPT
SCHEMBL2150511 0.80 VCP (0.38) L3MBTL1HTTNPC1RAB9AMAPT
SCHEMBL24516624 0.80 DDB1 (0.42) L3MBTL1TACR1KMT2AALDH1A1CYP2C9
SCHEMBL12286449 0.79 CYP2C9 (0.38) L3MBTL1HTTNPC1RAB9ATACR1
SCHEMBL11988930 0.78 TACR1 (0.39) L3MBTL1HTTNPC1RAB9ATACR1
SCHEMBL11988843 0.75 CHRM3 (0.36) L3MBTL1TACR1POLBMAPTCHRM3
SCHEMBL31721353 0.75 ALDH1A1 (0.39) L3MBTL1HTTNPC1RAB9ATACR1
SCHEMBL416619 0.73 TACR1 (0.42) L3MBTL1NPC1RAB9ATACR1MAPT
SCHEMBL17320197 0.73 TACR1 (0.42) L3MBTL1NPC1RAB9ATACR1POLB
SCHEMBL17611895 0.73 TACR1 (0.44) L3MBTL1NPC1RAB9ATACR1POLB

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
EP-2565184-A1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE Toray Industries, Inc. (JP) 2013-03-06 EP disclosed
US-20130041158-A1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE TORAY INDUSTRIES, INC. (JP) 2013-02-14 US disclosed
US-20130041157-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER TORAY INDUSTRIES, INC. (JP) 2013-02-14 US disclosed
US-8349874-B2 Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2013-01-08 US disclosed
US-20120270906-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2012-10-25 US disclosed
US-8247569-B2 Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2012-08-21 US disclosed
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2011-08-18 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 (4 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-20130041157-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR URINE COLLECTION DISORDER UROD, SORD, IDUA L3MBTL1 3490/4885HTT 795/4885NPC1 765/4885
US-20120270906-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, CNR1, TRPV1 L3MBTL1 4317/4885HTT 734/4885NPC1 417/4885
US-20130041158-A1 THERAPEUTIC AGENT AND PREVENTATIVE AGENT FOR ALZHEIMER'S DISEASE APP, PSEN1, PSEN2 L3MBTL1 3885/4885HTT 48/4885NPC1 116/4885
US-20110201650-A1 CYCLOHEXANE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, TRPV1, OPRL1 L3MBTL1 4133/4885HTT 687/4885NPC1 385/4885

“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.