SCHEMBL3340113

SCHEMBL3340113

C=C(CC)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.39
ACKR3 P25106 3/20 0.37
ALDH1A1 P00352 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
PKM P14618 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
SCHEMBL6945770 0.82 CES2 (0.52) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL30115025 0.82 CES2 (0.52) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL20628934 0.81 CES2 (0.47) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL20179628 0.81 HPGD (0.41) ALDH1A1PKM
SCHEMBL20156497 0.81 TRPA1 (0.39)
SCHEMBL12181058 0.80 CES2 (0.50) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL19881417 0.80 CES2 (0.50) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL28762823 0.80 CES2 (0.50) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL30601057 0.80 CES2 (0.50) CES2CES1L3MBTL1ACKR3ALDH1A1
SCHEMBL16560497 0.79 CES2 (0.58) CES2CES1L3MBTL1ALDH1A1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130043-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF ANXIETY PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2020249096-A1 FUSED RING COMPOUND AS FGFR AND VEGFR DUAL INHIBITOR 南京明德新药研发有限公司 2020-12-17 WO disclosed
WO-2018132288-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS, LLC (US) 2018-07-19 WO disclosed
US-9206146-B2 Purification of posaconazole and of posaconazole intermediates SANDOZ AG (CH) 2015-12-08 US disclosed
US-9073904-B2 Preparation of posaconazole intermediates SANDOZ AG (CH) 2015-07-07 US disclosed
US-9073904-B2 Preparation of posaconazole intermediates SANDOZ AG (CH) 2015-07-07 US disclosed
US-20130211086-A1 PURIFICATION OF POSACONAZOLE AND OF POSACONAZOLE INTERMEDIATES SANDOZ AG (CH) 2013-08-15 US disclosed
US-20130203994-A1 PREPARATION OF POSACONAZOLE INTERMEDIATES SANDOZ AG (CH) 2013-08-08 US disclosed
US-20130203994-A1 PREPARATION OF POSACONAZOLE INTERMEDIATES SANDOZ AG (CH) 2013-08-08 US disclosed
CN-102369198-A Triazole antifungal agents NIAN WU 2012-03-07 CN disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO disclosed
US-20100143455-A1 Triazole antifungal agents WU NIAN 2010-06-10 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-20130203994-A1 PREPARATION OF POSACONAZOLE INTERMEDIATES ERG28, CYP51A1, CYP2F1 CES2 2615/4885CES1 1127/4885L3MBTL1 4639/4885
US-20100143455-A1 Triazole antifungal agents CYP3A7, ERG28, UGT1A7 CES2 1657/4885CES1 1730/4885L3MBTL1 1247/4885
US-20130211086-A1 PURIFICATION OF POSACONAZOLE AND OF POSACONAZOLE INTERMEDIATES CYP2F1, ERG28, F12 CES2 2441/4885CES1 718/4885L3MBTL1 3486/4885

“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.