SCHEMBL3210552

SCHEMBL3210552

[CH2]Cc1cccc(OCCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
DHFR P00374 2/20 0.51
GGPS1 O95749 2/20 0.50
LTA4H P09960 2/20 0.50
PLA2G4B P0C869 1/20 0.50
MEN1 O00255 1/20 0.49
ADRB2 P07550 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 4/20 0.49
THRB P10828 1/20 0.49
KCNH2 Q12809 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
SCHEMBL677284 0.95 TSHR (0.58) TSHRDHFRGGPS1LTA4HPLA2G4B
SCHEMBL677779 0.93 TSHR (0.61) TSHRDHFRGGPS1PLA2G4BCYP2D6
SCHEMBL677264 0.93 TSHR (0.61) TSHRDHFRGGPS1PLA2G4BCYP2D6
SCHEMBL2923925 0.93 TSHR (0.61) TSHRDHFRGGPS1PLA2G4BCYP2D6
SCHEMBL3200918 0.91 KMT2A (0.51) TSHRDHFRGGPS1MEN1KMT2A
SCHEMBL9827395 0.86 CYP2D6 (0.53) TSHRDHFRPLA2G4BCYP2D6KCNH2
SCHEMBL720798 0.85 CYP2D6 (0.58) TSHRDHFRGGPS1LTA4HPLA2G4B
SCHEMBL11050996 0.85 KDM4E (0.60) TSHRDHFRGGPS1LTA4HPLA2G4B
SCHEMBL9255242 0.85 CYP2D6 (0.55) TSHRDHFRCYP2D6KCNH2
SCHEMBL8696807 0.84 KMT2A (0.57) KMT2ACYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160332959-A1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2016-11-17 US disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TSHR 4713/4885DHFR 4779/4885GGPS1 2307/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TSHR 4711/4885DHFR 4767/4885GGPS1 3170/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TSHR 4731/4885DHFR 4757/4885GGPS1 2556/4885
US-20160332959-A1 FLUORINATED ARYLALKYLAMINOCARBOXAMIDE DERIVATIVES CACNA1E, CACNA1B, CACNA1A TSHR 988/4885DHFR 1488/4885GGPS1 3691/4885

“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.