SCHEMBL3484487

SCHEMBL3484487

C[C@@H](C=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
TAAR1 Q96RJ0 5/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SIGMAR1 Q99720 4/20 0.52
SLC6A2 P23975 2/20 0.52
MAOA P21397 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
EPHX1 P07099 2/20 0.50
SLC18A2 Q05940 1/20 0.48
CYP2D6 P10635 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TRPA1 O75762 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL97559 1.00 TP53 (0.60) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL286217 1.00 TP53 (0.60) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL11461422 0.92 TP53 (0.58) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL159574 0.88 TP53 (0.58) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL8283176 0.88 TP53 (0.58) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL7931783 0.84 TAAR1 (0.50) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL11439830 0.83 TP53 (0.53) TP53TSHR
SCHEMBL7830613 0.83 CSNK1E (0.50) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL26082413 0.83 MAOB (0.56) SIGMAR1MAOA
SCHEMBL31412811 0.82 TSHR (0.66) TP53TSHRMEN1KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 US disclosed
US-20130274470-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20100003732-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE KANEKA CORPORATION (JP) 2010-01-07 US disclosed
EP-1887085-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-SUBSTITUTED PROPANAL DERIVATIVE Kaneka Corporation (JP) 2008-02-13 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 (6 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TP53 4729/4885TSHR 2615/4885TAAR1 2961/4885
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 TP53 2980/4885TSHR 1541/4885TAAR1 2311/4885
US-20130274470-A1 Triazolium Carbene Catalysts and Stereoselective Bond Forming Reactions Thereof HDHD5, DCX, CLK2 TP53 1108/4885TSHR 1020/4885TAAR1 1322/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TP53 4729/4885TSHR 2615/4885TAAR1 2961/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 TP53 4729/4885TSHR 2615/4885TAAR1 2961/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 TP53 4729/4885TSHR 2615/4885TAAR1 2961/4885

“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.