SCHEMBL6241860

SCHEMBL6241860

O=[N+]([O-])c1c(-c2ccccc2)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.59
▸ CYP3A4 P08684 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ NCEH1 Q6PIU2 1/20 0.46
▸ HPRT1 P00492 2/20 0.45
▸ HSP90AA1 P07900 2/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ S100A4 P26447 1/20 0.42
▸ HNF4A P41235 3/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABCC8 Q09428 1/20 0.39

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
SCHEMBL17987523 0.87 TSHR (0.53) TSHRCYP3A4ALDH1A1TDP1NCEH1
SCHEMBL18201473 0.85 CYP3A4 (0.56) TSHRCYP3A4ALDH1A1TDP1NCEH1
SCHEMBL29236231 0.82 ALDH1A1 (0.59) TSHRCYP3A4ALDH1A1TDP1HPRT1
SCHEMBL17742495 0.82 TSHR (0.59) TSHRCYP3A4ALDH1A1TDP1NCEH1
SCHEMBL12433120 0.81 HPRT1 (0.56) TSHRCYP3A4ALDH1A1TDP1HPRT1
SCHEMBL18302039 0.81 CYP3A4 (0.47) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL2311981 0.79 CYP3A4 (0.45) TSHRCYP3A4ALDH1A1TDP1HPRT1
SCHEMBL8365503 0.79 NCEH1 (0.50) TSHRCYP3A4ALDH1A1TDP1NCEH1
SCHEMBL18302088 0.78 TSHR (0.54) TSHRCYP3A4ALDH1A1TDP1NCEH1
SCHEMBL19831832 0.77 CYP3A4 (0.46) TSHRCYP3A4ALDH1A1TDP1NCEH1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019563-A1 COMPOSITION INCLUDING ADDITION CONDENSATION PRODUCT OF AROMATIC COMPOUND AND CARBONYL COMPOUND AND THIOL COMPOUND, METHOD FOR PRODUCING COMPOSITION, SCALE ADHESION PREVENTION AGENT, REACTION APPARATUS, POLYMER, AND METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-01-16 — — US disclosed
US-20180083204-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-03-22 — — US disclosed
WO-2016126035-A1 ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-08-11 — — WO disclosed
US-20160005981-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-07 — — US disclosed
US-20160005981-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-07 — — US disclosed
WO-2014104585-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2014-07-03 — — WO disclosed
EP-1072614-B1 Method for polymerizing vinyl monomers in a coated reactor SHINETSU CHEMICAL CO (JP) 2005-07-06 — — EP disclosed
CN-1198848-C Process for producing polymer by polymerization of monomer having ethylenic double bond SHINETSU CHEMICAL CO (JP) 2005-04-27 — — CN disclosed
EP-0934955-B1 Polymerization process characterized by a two layer coating against scale formation deposited using a steam carrier SHINETSU CHEMICAL CO (JP) 2003-04-16 — — EP disclosed
US-6362291-B1 PRETREATING VESSEL HAS ANTIDEPOSIT COATING SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-03-26 — — US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0341496-B1 Modified diene polymer rubbers SUMITOMO CHEMICAL CO (JP) 1993-10-20 — — EP disclosed
US-5219938-A Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 — — US disclosed
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 — — US disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 — — US disclosed
US-4957976-A IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-09-18 — — US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 — — EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 — — US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 — — US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 — — 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-20180083204-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF NFE2L2, OR51E2, ESR1 TSHR 4573/4885CYP3A4 1323/4885ALDH1A1 859/4885
US-20160005981-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND ELECTRONIC DEVICE THEREOF NFE2L2, OR51E2, ESR1 TSHR 4573/4885CYP3A4 1323/4885ALDH1A1 859/4885

“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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