SCHEMBL6960220

SCHEMBL6960220

CCCCCCCCOc1cccc(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ SMPD1 P17405 3/20 0.54
▸ PLA2G4B P0C869 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LTA4H P09960 1/20 0.51
▸ CYP11B1 P15538 1/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ TBXAS1 P24557 1/20 0.50
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ NR5A1 Q13285 1/20 0.49

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
SCHEMBL25168671 1.00 TSHR (0.59) TSHRSMPD1PLA2G4BKDM4EALDH1A1
SCHEMBL14034743 1.00 TSHR (0.59) TSHRSMPD1PLA2G4BKDM4EALDH1A1
SCHEMBL6957299 1.00 TSHR (0.59) TSHRSMPD1PLA2G4BKDM4EALDH1A1
SCHEMBL10289405 0.98 TSHR (0.57) TSHRSMPD1PLA2G4BKDM4EALDH1A1
SCHEMBL1070542 0.93 CYP11B1 (0.55) TSHRPLA2G4BKDM4EALDH1A1HPGD
SCHEMBL7388461 0.92 TBXAS1 (0.56) TBXAS1
SCHEMBL2536496 0.88 KMT2A (0.54) TSHRCYP11B1CYP11B2TBXAS1
SCHEMBL921871 0.88 LTA4H (0.56) TSHRPLA2G4BLTA4HCYP11B1CYP11B2
SCHEMBL9682289 0.86 CNR1 (0.49) TSHRSMPD1PLA2G4BKDM4EALDH1A1
SCHEMBL921023 0.86 LTA4H (0.62) KDM4EALDH1A1HPGDHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 — — US disclosed
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 — — EP disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 — — US disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 — — US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 — — EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 — — US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 — — US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 — — US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 — — 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 (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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 TSHR 2386/4885SMPD1 1338/4885PLA2G4B 2408/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 TSHR 2386/4885SMPD1 1338/4885PLA2G4B 2408/4885

“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.

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