Sugi Predict

Sugi Predict / Compounds / SCHEMBL4808002

SCHEMBL4808002

SCHEMBL4808002

ClC1=CC(c2cccc(Cl)c2)=C(Cl)[CH]C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HTR2C P28335 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 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
SCHEMBL5887068 0.76 CYP2A6 (0.38) ALOX5KDM4EALDH1A1GFERESR2
SCHEMBL4145649 0.75 ALOX5 (0.38) ALOX5TAAR1CHRNB4CHRNA3ALDH1A1
SCHEMBL363323 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31222672 0.68 ALOX5 (0.65) ALOX5TAAR1ALDH1A1NOTUMESR2
SCHEMBL817554 0.68 ALOX5 (0.65) ALOX5TAAR1ALDH1A1NOTUMESR2
Hydrochloric Acid SCHEMBL31070804 0.66 ALOX5 (0.62) ALOX5TAAR1ALDH1A1HTR2CNOTUM
Hydrochloric Acid SCHEMBL28332867 0.66 ALOX5 (0.62) ALOX5TAAR1ALDH1A1HTR2CNOTUM
SCHEMBL29629014 0.66 ALOX5 (0.62) ALOX5TAAR1ALDH1A1NOTUMESR2
SCHEMBL6047598 0.64 HTR2C (0.39) ALOX5TAAR1CHRNB4CHRNA3HTR2C
SCHEMBL16394285 0.64 TAAR1 (0.71) ALOX5TAAR1ESR2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 — — US claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 — — US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 — — US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 — — US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 — — 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-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ALOX5 4355/4885TAAR1 308/4885CHRNB4 1154/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ALOX5 480/4885TAAR1 349/4885CHRNB4 818/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ALOX5 3355/4885TAAR1 179/4885CHRNB4 791/4885

“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.