SCHEMBL918474

SCHEMBL918474

CC(C)CC1CCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA4 P22748 5/20 0.45
KMT2A Q03164 2/20 0.43
PTGS1 P23219 8/20 0.43
PTGS2 P35354 8/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 1/20 0.43
CA6 P23280 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL20165714 1.00 CA1 (0.45) CA1CA2CA4KMT2APTGS1
SCHEMBL3731600 0.98 KMT2A (0.47) CA1CA2CA4KMT2APTGS1
SCHEMBL10818954 0.98 KMT2A (0.47) CA1CA2CA4KMT2APTGS1
SCHEMBL2691668 0.94 PTGS1 (0.44) CA1CA2CA4KMT2APTGS1
SCHEMBL2690043 0.85
SCHEMBL11904307 0.82 CA1 (0.41) CA1CA2CA4KMT2APTGS1
SCHEMBL3823777 0.82 CA1 (0.45) CA1CA2CA4KMT2APTGS1
SCHEMBL9943495 0.81 CA1 (0.39) CA1CA2CA4KMT2APTGS1
SCHEMBL1986958 0.80 NPC1 (0.45) CA1CA2CA4KMT2APTGS1
SCHEMBL4128734 0.80 NOS1 (0.45) CA1CA2CA4KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751266-A 4- (2-Butyl) amino aniline and preparation method thereof 滁州市庆云医药有限公司 2025-04-04 CN claimed
US-9290691-B2 Organic el material-containing solution, method for forming organic el thin film, organic el device comprising organic el thin film, and method for manufacturing organic el display panel IDEMITSU KOSAN CO., LTD. (JP) 2016-03-22 US claimed
US-20120110900-A1 Liquid fuel composition and method for enhancing combustion efficiency of a liquid fuel TSAI KAI-SHON (TW) 2012-05-10 US claimed
US-12590089-B2 Processes for preparing toll-like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-12421474-B2 Perfume oil mixture SYMRISE AG (DE) 2025-09-23 US disclosed
CN-119751266-A 4- (2-Butyl) amino aniline and preparation method thereof 滁州市庆云医药有限公司 2025-04-04 CN disclosed
US-20250066377-A1 AMINO CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2025-02-27 US disclosed
CN-119371422-A Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2025-01-28 CN disclosed
CN-114269744-B Methods for preparing Toll-like receptor modulator compounds 吉利德科学公司 2024-10-18 CN disclosed
US-20240229089-A1 A process for enzymatic synthesis of amides from amines and carboxylic acids or esters XP CHEMISTRIES AB (SE) 2024-07-11 US disclosed
US-4517379-A ARTIFICIAL SWEETENER PFIZER INC. (US) 1985-05-14 US disclosed
US-4499306-A HALOGENATION OF 2-ISOBUTYLIDENE CYCLOHEXANONE IN PRESENCE OF CATALST MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1985-02-12 US disclosed
EP-0069811-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-10-24 EP disclosed
EP-0034876-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-08-29 EP disclosed
US-4454328-A SWEETENERS PFIZER INC. (US) 1984-06-12 US disclosed
US-4411925-A STABLE SWEETENERS PFIZER INC. (US) 1983-10-25 US disclosed
EP-0090976-A2 2,2-Dihalo-6-halo-6(1-haloisobutyl)cyclohexanone MITSUBISHI KASEI CORPORATION (JP) 1983-10-12 EP disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 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-12590089-B2 Processes for preparing toll-like receptor modulator compounds TLR8, MYD88, TLR6 CA1 3650/4885CA2 1648/4885CA4 3897/4885
US-20250066377-A1 AMINO CHROMEN-2-ONE MODULATORS OF POLRMT POLRMT, TFAM, POLM CA1 4859/4885CA2 4380/4885CA4 4705/4885

“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.