SCHEMBL76559

SCHEMBL76559

O=C1CCCCN1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
AKR1C3 P42330 2/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 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
SCHEMBL1626841 0.98 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7459714 0.98 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL329316 0.98 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL136476 0.94 ALDH1A1 (0.67) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7466356 0.92 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Pyridine SCHEMBL28869905 0.89 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL22129658 0.88 BRD4 (0.50) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL1023898 0.85 L3MBTL1 (0.61) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL136822 0.85 NPC1 (0.60) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
Thianthrene SCHEMBL31297737 0.83 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128325-B Substituted phenyl piperidone compound and synthesis method and application thereof 广州医科大学 2021-01-05 CN claimed
US-7138475-B2 Compositions for golf equipment ACUSHNET COMPANY (US) 2006-11-21 US claimed
US-20040220377-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US claimed
EP-0786483-B1 Process for an activated anionic lactam polymerisation INVENTA AG (CH) 2000-04-19 EP claimed
EP-0897303-A4 1999-02-24 EP claimed
EP-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP claimed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0786483-A2 Process for an activated anionic lactam polymerisation EMS-INVENTA AG (CH) 1997-07-30 EP claimed
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP claimed
US-12617238-B2 Pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2026-05-05 US disclosed
EP-4722000-A1 TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2026-04-08 EP disclosed
US-12589615-B2 Pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2026-03-31 US disclosed
EP-4706979-A1 TIRE Sumitomo Rubber Industries, Ltd. (JP) 2026-03-11 EP disclosed
EP-4706982-A1 TIRE Sumitomo Rubber Industries, Ltd. (JP) 2026-03-11 EP disclosed
US-5001196-A Process for preparation of diene type polymer rubber NIPPON ZEON CO., LTD. (JP) 1991-03-19 US disclosed
EP-0388921-A2 Additive for organic solvent or thermoplastic polymer NIPPON ZEON CO., LTD. (JP) 1990-09-26 EP disclosed
EP-0382205-A2 Additive for thermosetting resins and thermosetting resin composition containing additive NIPPON ZEON CO., LTD. (JP) 1990-08-16 EP disclosed
CN-87107226-A Lactam derivatives and preparation thereof 1988-06-29 CN disclosed
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4093620-A Process for producing 2-cyano N-substituted heterocyclic compounds and products produced thereby PHILIP MORRIS INCORPORATED (US) 1978-06-06 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 (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-12589615-B2 Pneumatic tire LBR, TERF2, TLN1 ALDH1A1 3840/4885HPGD 1232/4885CYP1A2 3229/4885
US-12617238-B2 Pneumatic tire CCT4, CCT7, CCNE2 ALDH1A1 4505/4885HPGD 2516/4885CYP1A2 3946/4885

“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.