SCHEMBL6561374

SCHEMBL6561374

Ic1ccc2ccc(I)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAPT P10636 1/20 0.35
ERN1 O75460 1/20 0.33
TGM2 P21980 1/20 0.31
CES1 P23141 1/20 0.31
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TYMS P04818 2/20 0.31

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
SCHEMBL30388219 1.00 NOS1 (0.42) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL19230462 0.90 NOS1 (0.41) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL9422180 0.90 NOS1 (0.41) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL29644321 0.89 NOS1 (0.44) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL1297632 0.89 NOS1 (0.44) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL10713877 0.86 NOS1 (0.42) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL9566237 0.84 NOS1 (0.38) NOS1CYP1A2CYP2A6MAPTERN1
SCHEMBL150366 0.84 CYP2A6 (0.48) CYP1A2CYP2A6CES1ESR1ESR2
SCHEMBL30707311 0.84 CYP2A6 (0.48) CYP1A2CYP2A6CES1ESR1ESR2
SCHEMBL30586370 0.84 CYP2A6 (0.48) CYP1A2CYP2A6CES1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229064-B1 Process for the preparation of a polyester COUNCIL SCIENT IND RES (IN) 2004-06-02 EP claimed
EP-1229064-A1 Process for the preparation of a polyester COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-08-07 EP claimed
US-5025107-A Process for coproduction of arylene diamine dihalides and alkyl halides EASTMAN KODAK COMPANY (US) 1991-06-18 US claimed
US-4904817-A CARBONYLATION OF CORRESPONDING IODIDES EASTMAN KODAK COMPANY (US) 1990-02-27 US claimed
US-4814526-A Selective adsorption/separation of diiodonaphthalenes EASTMAN KODAK COMPANY (US) 1989-03-21 US claimed
US-12091421-B2 Fused thiophene molecule and p-type semiconductor film and electronic device PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2024-09-17 US disclosed
US-11818932-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-11711978-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-25 US disclosed
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 US disclosed
US-11696496-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-04 US disclosed
US-11690289-B2 Organic compound containing heterocyclic ring and having low lumo properties, and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-27 US disclosed
US-20230180606-A1 ORGANIC LIGHT-EMITTING DEVICE AND DISPLAY APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-08 US disclosed
EP-0247159-A1 PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATES AND ALKYL IODIDES. EASTMAN KODAK CO (US) 1987-12-02 EP disclosed
US-4705890-A Carbonylation process for the production of aromatic acids EASTMAN KODAK COMPANY (US) 1987-11-10 US disclosed
EP-0236348-A1 CARBONYLATION PROCESS FOR THE PRODUCTION OF AROMATIC ACIDS. EASTMAN KODAK CO (US) 1987-09-16 EP disclosed
WO-1987003280-A1 PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATES AND ALKYL IODIDES EASTMAN KODAK COMPANY (US) 1987-06-04 WO disclosed
WO-1987003279-A1 PROCESS FOR THE CO-PRODUCTION OF AROMATIC CARBOXYLATES AND ALKYL IODIDES EASTMAN KODAK COMPANY (US) 1987-06-04 WO disclosed
US-4654436-A Carbonylation process for the production of aromatic acids or esters EASTMAN KODAK COMPANY (US) 1987-03-31 US disclosed
US-4649216-A Carbonylation process for the production of aromatic acids EASTMAN KODAK COMPANY (US) 1987-03-10 US disclosed
WO-1987000829-A1 CARBONYLATION PROCESS FOR THE PRODUCTION OF AROMATIC ACIDS EASTMAN KODAK COMPANY (US) 1987-02-12 WO 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-12091421-B2 Fused thiophene molecule and p-type semiconductor film and electronic device TPR, TPMT, DDT NOS1 3488/4885CYP1A2 2440/4885CYP2A6 2590/4885
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNT1, C9 NOS1 1382/4885CYP1A2 766/4885CYP2A6 213/4885
US-11690289-B2 Organic compound containing heterocyclic ring and having low lumo properties, and organic electroluminescent device using the same LEF1, PPOX, LIMK1 NOS1 987/4885CYP1A2 77/4885CYP2A6 1011/4885

“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.