SCHEMBL3050207

SCHEMBL3050207

CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 1.00
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
TLR9 Q9NR96 1/20 0.62
MAPT P10636 4/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59

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
SCHEMBL814396 1.00 HSD17B3 (1.00) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL814395 1.00 HSD17B3 (1.00) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL19508591 0.93 HSD17B3 (0.86) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL11140648 0.93 HSD17B3 (0.86) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL11319313 0.93 HSD17B3 (0.86) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL11319298 0.93 HSD17B3 (0.86) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL9418469 0.93 HSD17B3 (0.86) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL11139551 0.91 HSD17B3 (0.83) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL10227089 0.91 HSD17B3 (0.83) HSD17B3CRHBPCRHR2TLR9MAPT
SCHEMBL11318709 0.91 HSD17B3 (0.83) HSD17B3CRHBPCRHR2TLR9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3413906-B1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES UNIV LOUISIANA STATE (US) 2021-10-27 EP claimed
US-20170258929-A1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2017-09-14 US claimed
EP-0068808-B1 PHOTORESIST COMPOSITION JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1985-06-05 EP claimed
EP-0068808-A2 Photoresist composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-01-05 EP claimed
US-4367280-A AROMATIC CARBONYL COMPOUND AND P-DIALKYLAMINO AROMATIC CARBONYL COMPOUND COMBINATION POLYMERIZATION INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1983-01-04 US claimed
US-4290870-A 5-ISOXOLONE, AROMATIC CARBONYL, DIALKYLAMINO AROMATIC CARBONYL OR FUJI PHOTO FILM CO., LTD. (JP) 1981-09-22 US claimed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US claimed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
EP-3445348-B1 FLUORESCENT COMPOUNDS, PRODUCTION METHODS AND USES THEREOF UNIV AVEIRO (PT) 2023-06-07 EP disclosed
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 US disclosed
EP-3413906-B1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES UNIV LOUISIANA STATE (US) 2021-10-27 EP disclosed
EP-3109703-B1 PHOTOSENSITIZATION CHEMICAL-AMPLIFICATION TYPE RESIST MATERIAL, AND METHOD FOR FORMING PATTERN USING SAME TOKYO ELECTRON LTD (JP) 2020-12-30 EP disclosed
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 US disclosed
EP-0339383-A2 Bistyryl methanes BASF Aktiengesellschaft (DE) 1989-11-02 EP disclosed
EP-0068808-B1 PHOTORESIST COMPOSITION JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1985-06-05 EP disclosed
EP-0068808-A2 Photoresist composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1983-01-05 EP disclosed
US-4367280-A AROMATIC CARBONYL COMPOUND AND P-DIALKYLAMINO AROMATIC CARBONYL COMPOUND COMBINATION POLYMERIZATION INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1983-01-04 US disclosed
US-4290870-A 5-ISOXOLONE, AROMATIC CARBONYL, DIALKYLAMINO AROMATIC CARBONYL OR FUJI PHOTO FILM CO., LTD. (JP) 1981-09-22 US disclosed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US disclosed
US-4259432-A HIGH SENSITIVITY TO ULTRAVIOLET RADIATION AND ARGON LASER RAYS FUJI PHOTO FILM CO., LTD. (JP) 1981-03-31 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-20170258929-A1 CANCER TREATMENT COMBINATION COMPOSITIONS, METHODS AND USES GNRHR, LHCGR, MKI67 HSD17B3 164/4885CRHBP 169/4885CRHR2 96/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HSD17B3 2643/4885CRHBP 1848/4885CRHR2 3200/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN HSD17B3 2643/4885CRHBP 1848/4885CRHR2 3200/4885

“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.