SCHEMBL5793035

SCHEMBL5793035

O=C(Cl)CCCCCCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
HDAC1 Q13547 5/20 0.62
HDAC2 Q92769 3/20 0.62
ALOX5 P09917 3/20 0.62
FAAH O00519 3/20 0.61
CES1 P23141 3/20 0.61
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
MAPK1 P28482 1/20 0.59
ADRA1A P35348 1/20 0.59
SLC6A3 Q01959 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL3253249 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL3250759 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL7768077 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL7883758 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL9664005 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL9664667 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL384438 0.98 MAPT (0.68) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL8772423 0.94 MAPT (0.82) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL61491 0.92 HDAC1 (0.69) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL27538484 0.90 HDAC1 (0.67) MAPTRXFP1HDAC1HDAC2ALOX5

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-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
WO-2006029818-A2 COSMETIC COMPOSITIONS CONTAINING AN HYDROXAMIC ACID COMPOUND OPTIONALLY IN COMBINATION WITH A RETINOID DSM IP ASSETS B.V. (NL) 2006-03-23 WO disclosed
US-6147084-A Brain cell protective agent TORAY INDUSTRIES, INC. (JP) 2000-11-14 US disclosed
US-5972953-A MORPHINAN DERIVATIVE; USEFAL AS PREVENTIVE AND THERAPUETIC AGENTS OF ISCHEMIC BRAIN DISORDERS, BRAIN NERVE CELL DISORDERS AND DEMENTIA TORAY INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0661283-B1 BRAIN CELL PROTECTIVE TORAY INDUSTRIES (JP) 1998-10-21 EP disclosed
EP-0661283-A1 BRAIN CELL PROTECTIVE TORAY INDUSTRIES, INC. (JP) 1995-07-05 EP disclosed
US-5405989-A Controlling house dust mites SUMITOMO CHEMICAL CO., LTD. (JP) 1995-04-11 US disclosed
EP-0597660-A2 Propargyl ester compounds, acaricides containing the same as an active ingredient and an acaricidal method SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-18 EP disclosed
EP-0273451-B1 LIPOXYGENASE INHIBITORY COMPOUNDS Bristol-Myers Squibb Company (US) 1992-04-01 EP disclosed
US-4861798-A Lipoxygenase inhibitory compounds BRISTOL-MYERS COMPANY (US) 1989-08-29 US disclosed
EP-0273451-A2 Lipoxygenase inhibitory compounds Bristol-Myers Squibb Company (US) 1988-07-06 EP disclosed
US-3992396-A TRANQUILIZERS, HYPNOTICS SANDOZ, INC. (US) 1976-11-16 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 (2 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-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 MAPT 2676/4885RXFP1 2509/4885HDAC1 317/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 MAPT 3746/4885RXFP1 4818/4885HDAC1 646/4885

“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.