SCHEMBL6898272

SCHEMBL6898272

CCON(OCC)C(=O)c1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 6/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
CYP1A2 P05177 2/20 0.32
BLM P54132 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL27348022 0.85 TRPM8 (0.37) MLYCDALDH1A1MAPTLMNANPC1
SCHEMBL28332498 0.81 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPC1HPGD
SCHEMBL11418844 0.77 TSHR (0.39) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL467330 0.75 HPGD (0.56) MLYCDALDH1A1MAPTLMNANPC1
SCHEMBL2225457 0.73 HPGD (0.38) MLYCDALDH1A1MAPTLMNANPC1
SCHEMBL2902770 0.73 HDAC4 (0.42) MLYCDALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2224559 0.73 HPGD (0.35) MLYCDALDH1A1MAPTLMNANPC1
SCHEMBL8185385 0.73 PIN1 (0.39) MLYCDALDH1A1MAPTLMNANPC1
SCHEMBL483124 0.72 MLYCD (0.57) MLYCDALDH1A1MAPTNPC1HPGD
SCHEMBL8390977 0.71 TDP1 (0.65) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 EP disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
EP-0949927-B1 PHARMACEUTICAL COMPOSITION CONTAINING OSTEOGENESIS-PROMOTING SUBSTANCE AND A POLYETHYLENE GLYCOL TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-16 EP disclosed
EP-1208850-A1 PASTES WITH THE SUSTAINED RELEASE OF OSTEOGENESIS PROMOTER Takeda Chemical Industries, Ltd. (JP) 2002-05-29 EP disclosed
US-6344209-B1 BIODEGRADABLE POLYLACTIC ACID, POLYGLYCOLIC ACID AND COPOLYMERS OF THE TWO FOR BONE DISEASES THERAPY; ANTIBIOTICS, ANTI-INFLAMMATORY AND ANTI-TUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed
CN-1321094-A Bone repair materials/artificial bone compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 CN disclosed
EP-1120122-A1 BONE REPAIR MATERIALS/ARTIFICIAL BONE COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed
EP-0460488-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
EP-1105140-A2 BENZOTHIEPINE COMPOUNDS AS ENHANCER OF CELL DIFFERENTIATION INDUCTION FACTOR Takeda Chemical Industries, Ltd. (JP) 2001-06-13 EP disclosed
WO-1996039134-A1 OSTEOGENETIC PROMOTING PHARMACEUTICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-12 WO disclosed
CN-1032470-C Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-08-07 CN disclosed
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0376197-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-12 EP disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 US disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US disclosed
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP disclosed
CN-1045106-A Sulfur heterocyclic compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-09-05 CN disclosed
EP-0376197-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1990-07-04 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 (1 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 MLYCD 3104/4885ALDH1A1 3155/4885MAPT 1129/4885

“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.