SCHEMBL423182

SCHEMBL423182

CC(C)c1cccc(Cl)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
CYP3A4 P08684 2/20 0.68
PNMT P11086 2/20 0.68
CYP2D6 P10635 1/20 0.68
NFKB1 P19838 1/20 0.68
LMNA P02545 3/20 0.65
ALDH1A1 P00352 1/20 0.65
GLA P06280 1/20 0.65
GABRA1 P14867 3/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
TSHR P16473 2/20 0.48
GABRB2 P47870 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HPGD P15428 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL2200187 0.87 GABRA1 (0.55) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL22801396 0.85 CYP1A2 (0.68) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL11501928 0.83 CYP1A2 (0.65) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL10980261 0.81 CYP1A2 (0.63) CYP1A2CYP3A4PNMTCYP2D6NFKB1
Methylamine SCHEMBL6500291 0.81 PNMT (0.69) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL8207165 0.81 PNMT (1.00) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL8207792 0.81 PNMT (1.00) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL8428077 0.81 CYP1A2 (0.63) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL15302407 0.81 CYP1A2 (0.63) CYP1A2CYP3A4PNMTCYP2D6NFKB1
SCHEMBL158333 0.81 PNMT (1.00) CYP1A2CYP3A4PNMTCYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869737-A REACTING A MALONIC ACID DERIVATIVE AND A 1,2-DICHLORO COMPOUND WITH AN ALCOHOLATE; CYCLIZATION; SOLVENT EXTRACTION; DISTILLATION HUELS AKTIENGESELLSCHAFT (DE) 1999-02-09 US claimed
WO-2024092083-A1 SMALL MOLECULAR WEIGHT CHEMICAL COMPOUND TO ANTAGONIZE EPH-EPHRIN TETRAMERIZATION AND INHIBIT BIDIRECTIONAL SIGNALING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-02 WO disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
WO-2007002172-A2 HIV-1 PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5869737-A REACTING A MALONIC ACID DERIVATIVE AND A 1,2-DICHLORO COMPOUND WITH AN ALCOHOLATE; CYCLIZATION; SOLVENT EXTRACTION; DISTILLATION HUELS AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
EP-0442115-B1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1993-11-24 EP disclosed
US-5105036-A Friedel-Crafts catalyst and oxy-substituted cyclic amidines as cocatylsts; preferential formation of p-isomer BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0442115-A1 Process for nucleus-chlorination of aromatic hydrocarbons BAYER AG (DE) 1991-08-21 EP disclosed
US-5030777-A Synthesis of 3,5-dichloroalkylbenzene and recovery of 1,3-dichlorobenzene STANDARD CHLORINE OF DELAWARE, INC. (US) 1991-07-09 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 (4 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-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 CYP1A2 3366/4885CYP3A4 3646/4885PNMT 4271/4885
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 CYP1A2 3604/4885CYP3A4 3930/4885PNMT 1993/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 CYP1A2 2970/4885CYP3A4 4070/4885PNMT 3009/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP1A2 3478/4885CYP3A4 3711/4885PNMT 4806/4885

“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.